Description

3,5-Bis(Trifluoromethyl)Benzylisocyanide is a versatile and highly functionalized organic building block, specifically an isocyanide derivative of a bis(trifluoromethyl)benzene scaffold. This compound is valued for its unique reactivity profile, enabling its use as a key precursor in the synthesis of complex heterocycles and functional materials. It is primarily sought after by researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors for applications in multicomponent reactions and metal-catalyzed transformations.

Application

• Pharmaceutical Intermediate: A critical reagent in the synthesis of novel drug candidates, particularly in multicomponent reactions (MCRs) like the Ugi and Passerini reactions to create diverse chemical libraries.
• Agrochemical Synthesis: Used in the development of advanced pesticides and herbicides, where the trifluoromethyl groups enhance biological activity and metabolic stability.
• Ligand & Catalyst Development: Serves as a precursor for isocyanide-based ligands used in transition metal catalysis for C-H activation and cross-coupling reactions.
• Functional Material Research: Employed in the creation of specialty polymers, metal-organic frameworks (MOFs), and organic electronic materials due to its robust aromatic core and functional handle.
• Chemical Biology & Proteomics: Utilized in bioorthogonal chemistry and activity-based protein profiling (ABPP) as a tagging reagent.
• Academic & Process R&D: A valuable tool for methodological development in organic synthesis and scale-up process optimization.

Basic Information

Product Name	3,5-Bis(Trifluoromethyl)Benzylisocyanide
CAS No.	730964-54-2
Molecular Formula	C11H5F6N
Molecular Weight	265.16 g/mol
Synonyms	3,5-Bis(trifluoromethyl)benzyl isocyanide; 1-Isocyanomethyl-3,5-bis(trifluoromethyl)benzene; α-Isocyano-3,5-bis(trifluoromethyl)toluene; (3,5-Bis(trifluoromethyl)phenyl)methyl isocyanide; 3,5-Bis(trifluoromethyl)benzyl isonitrile; 3,5-Bis(trifluoromethyl)phenylmethyl isocyanide; Benzene, 1-(isocyanomethyl)-3,5-bis(trifluoromethyl)-
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Each batch of 3,5-Bis(Trifluoromethyl)Benzylisocyanide is analyzed to confirm identity, purity, and consistency. Certificates of Analysis (COA) detailing specifications such as assay (by HPLC/NMR), impurity profile, and physical characteristics are available upon request. We adhere to strict in-house quality protocols to support your research and development needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container should be kept sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95%
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.